Structure Database (LMSD)

Systematic Name
7-Hydroxy-3',4'-dimethoxyflavone
Synonyms
LM ID
LMPK12110048
Formula
C17H14O5
Exact Mass
Calculate m/z
298.084125
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
MEDOAKSPIIOKFU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O5/c1-20-14-6-3-10(7-17(14)21-2)15-9-13(19)12-5-4-11(18)8-16(12)22-15/h3-9,18H,1-2H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC(OC)=C(OC)C=3)OC=1C=C(O)C=C2

Other Databases

METABOLOMICS ID
FL3F1CNS0007
PubChem CID
5378518

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 255.71
Topological Polar Surface Area 68.90
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 4.08
Molar Refractivity 82.80

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Updated at
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